SCHEMBL12367283

SCHEMBL12367283

Cc1ccc(-c2cccc(-c3ccc([Si](C)(C)C)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.44
DHODH Q02127 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ENPP3 O14638 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ESR1 P03372 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26821710 0.91 MEN1 (0.48) MEN1KMT2AENPP3GAAESR1
SCHEMBL20022129 0.90 ENPP3 (0.53) PTPN5NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL20022103 0.90 ENPP3 (0.53) PTPN5NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL20022141 0.88 ENPP3 (0.51) DHODHNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16802048 0.88 ENPP3 (0.54) PTPN5NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13664879 0.87 ENPP3 (0.45) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL12367284 0.87 ENPP3 (0.45) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL29892442 0.84 MEN1 (0.55) PTPN5DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL26566383 0.83 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL14999152 0.80 RXRA (0.42) NPC1RAB9ASMN1; SMN2HPGDPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2011-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AOC2, NAT1, ALKBH1 PTPN5 4078/4885DHODH 2622/4885NPC1 3880/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.